3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol

C14H21NO3 — CID 68653363

IUPAC3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol
SMILESC=CCC(N)(CCO)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-4-7-14(15,8-9-16)12-6-5-11(17-2)10-13(12)18-3/h4-6,10,16H,1,7-9,15H2,2-3H3
InChIKeyDHJAPHVTNUOBFN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol

3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol (PubChem CID 68653363) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol
PubChem CID68653363
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol
SMILESC=CCC(N)(CCO)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-4-7-14(15,8-9-16)12-6-5-11(17-2)10-13(12)18-3/h4-6,10,16H,1,7-9,15H2,2-3H3
InChIKeyDHJAPHVTNUOBFN-UHFFFAOYSA-N
XLogP1.82
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol?
The IUPAC name of 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol (CID 68653363) is 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol.
What is the SMILES notation for 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol?
The canonical SMILES for 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol is C=CCC(N)(CCO)c1ccc(OC)cc1OC.
What is the InChIKey of 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol?
The InChIKey is DHJAPHVTNUOBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-7-14(15,8-9-16)12-6-5-11(17-2)10-13(12)18-3/h4-6,10,16H,1,7-9,15H2,2-3H3.
What are the key properties of 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol?
3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol is sourced from PubChem (CID 68653363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).